日本金属学会誌

J. Japan Inst. Metals, Vol. 73, No. 9 (2009),
pp. 674-682

Thermodynamic Analysis of the Fe-V-B Ternary Phase Diagram

Masayuki Tojo, Hiroshi Ohtani and Mitsuhiro Hasebe

Department of Materials Science, Faculty of Engineering, Kyushu Institute of Technology, Kitakyushu 804-8550

Abstract:

A thermodynamic analysis of the Fe-V-B ternary system has been carried out by estimating the unknown thermodynamic properties of binary and ternary borides using a first-principles method. The formation enthalpies for the (Fe, V)2B, (Fe, V)3B2, (Fe, V)3B4, (Fe, V)B2 phases were obtained from the calculations. For the compound phases of which crystal structures were unidentified, the thermodynamic properties were determined by analyzing the experimental data for the phase diagrams. The thermodynamic functions determined by using these theoretical values, as well as the available experimental information on the phase fields, successfully revealed the phase equilibria in the Fe-V-B ternary system over the entire composition and temperature ranges.


(Received 2009/4/27)

Keywords:

phase diagram, thermodynamic analysis, calculation of phase diagrams (CALPHAD), first-principles calculations, borides


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